MMs01234814 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 44 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5815 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7509 -1.1970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5449 -2.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1694 -1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0205 -3.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5204 -3.4988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9718 -2.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3944 -1.5927 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5176 -2.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9402 -2.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2396 -0.6415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3411 0.1538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6623 -0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9617 1.3039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7854 -1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2758 -0.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8975 -2.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7913 -3.3689 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4860 -2.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0634 -3.1056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3906 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 -1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6403 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1472 0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 0.4788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 2.0842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5463 1.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7954 -2.2039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5783 -3.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0899 -3.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0696 -3.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4736 -3.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1028 -2.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2511 -0.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8021 0.3862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5464 1.2824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0642 0.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4682 1.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 22 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 M END